SCHEMBL1050827

SCHEMBL1050827

COc1ccc(C(OC[C@H]2S[C@@H](n3ccc(=O)[nH]c3=O)[C@H](OC)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.41
DUT P33316 5/20 0.40
P2RY14 Q15391 3/20 0.39
SLC6A1 P30531 2/20 0.35
SLC6A11 P48066 1/20 0.35
P2RY2 P41231 3/20 0.35
P2RY6 Q15077 3/20 0.35
NT5E P21589 1/20 0.33
P2RY4 P51582 1/20 0.33
HSP90AA1 P07900 1/20 0.33
P2RY12 Q9H244 1/20 0.33
SLC28A1 O00337 1/20 0.32
SLC28A2 O43868 1/20 0.32
SLC29A1 Q99808 1/20 0.32
SLC28A3 Q9HAS3 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1052781 1.00 TYMP (0.41) TYMPDUTP2RY14SLC6A1SLC6A11
SCHEMBL1054738 0.93 TYMP (0.42) TYMPDUTP2RY14SLC6A1SLC6A11
SCHEMBL1055737 0.90 TYMP (0.41) TYMPDUTP2RY14SLC6A1SLC6A11
SCHEMBL12960266 0.89 TYMP (0.41) TYMPDUTP2RY14SLC6A1SLC6A11
SCHEMBL1052839 0.89 TYMP (0.38) TYMPDUTP2RY14SLC6A1SLC6A11
SCHEMBL6237035 0.89 TYMP (0.38) TYMPDUTP2RY14SLC6A1SLC6A11
SCHEMBL25375170 0.82 TYMP (0.41) TYMPDUTP2RY14SLC6A1SLC6A11
SCHEMBL6284697 0.82 TYMP (0.53) TYMPP2RY14P2RY2P2RY6P2RY4
SCHEMBL20828930 0.82 TYMP (0.53) TYMPP2RY14P2RY2P2RY6P2RY4
SCHEMBL3721728 0.82 TYMP (0.53) TYMPP2RY14P2RY2P2RY6P2RY4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1677822-B1 4'-THIONUCLEOSIDES AND OLIGOMERIC COMPOUNDS ISIS PHARMACEUTICALS INC (US) 2014-04-23 EP disclosed
US-7939677-B2 Oligomeric compounds comprising 4′-thionucleosides for use in gene modulation ISIS PHARMACEUTICALS, INC. (US) 2011-05-10 US disclosed
US-7939677-B2 Oligomeric compounds comprising 4′-thionucleosides for use in gene modulation ISIS PHARMACEUTICALS, INC. (US) 2011-05-10 US disclosed
US-7939677-B2 Oligomeric compounds comprising 4′-thionucleosides for use in gene modulation ISIS PHARMACEUTICALS, INC. (US) 2011-05-10 US disclosed
US-7875733-B2 Nucleosides; RNA interference; gene expression inhibition; for use in therapeutic, diagnostic, and research applications involving gene silencing ISIS PHARMACEUTICALS, INC. (US) 2011-01-25 US disclosed
US-7875733-B2 Nucleosides; RNA interference; gene expression inhibition; for use in therapeutic, diagnostic, and research applications involving gene silencing ISIS PHARMACEUTICALS, INC. (US) 2011-01-25 US disclosed
US-20100324277-A1 OLIGOMERIC COMPOUNDS COMPRISING 4'-THIONUCLEOSIDES FOR USE IN GENE MODULATION ISIS PHARMACEUTICALS, INC. (US) 2010-12-23 US disclosed
US-20100324277-A1 OLIGOMERIC COMPOUNDS COMPRISING 4'-THIONUCLEOSIDES FOR USE IN GENE MODULATION ISIS PHARMACEUTICALS, INC. (US) 2010-12-23 US disclosed
US-20100324277-A1 OLIGOMERIC COMPOUNDS COMPRISING 4'-THIONUCLEOSIDES FOR USE IN GENE MODULATION ISIS PHARMACEUTICALS, INC. (US) 2010-12-23 US disclosed
US-20050130923-A1 Nucleosides; RNA interference; gene expression inhibition; for use in therapeutic, diagnostic, and research applications involving gene silencing IONIS PHARMACEUTICALS, INC. 2005-06-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100324277-A1 OLIGOMERIC COMPOUNDS COMPRISING 4'-THIONUCLEOSIDES FOR USE IN GENE MODULATION SNRPE, NSUN3, NSUN2 TYMP 2257/4885DUT 280/4885P2RY14 4501/4885
US-20050130923-A1 Nucleosides; RNA interference; gene expression inhibition; for use in therapeutic, diagnostic, and research applications involving gene silencing NSUN2, SNRPE, SNRPA TYMP 687/4885DUT 98/4885P2RY14 4286/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.